Detailed information for compound 1265876

Basic information

Technical information
  • TDR Targets ID: 1265876
  • Name: [4-(4-chlorophenyl)piperazin-1-yl]-[5-[(2,3,5 ,6-tetrafluorophenoxy)methyl]furan-2-yl]metha none
  • MW: 468.829 | Formula: C22H17ClF4N2O3
  • H donors: 0 H acceptors: 1 LogP: 4.9 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)N1CCN(CC1)C(=O)c1ccc(o1)COc1c(F)c(F)cc(c1F)F
  • InChi: 1S/C22H17ClF4N2O3/c23-13-1-3-14(4-2-13)28-7-9-29(10-8-28)22(30)18-6-5-15(32-18)12-31-21-19(26)16(24)11-17(25)20(21)27/h1-6,11H,7-10,12H2
  • InChiKey: XMAYXHVNQZIAPN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • [4-(4-chlorophenyl)piperazin-1-yl]-[5-[(2,3,5,6-tetrafluorophenoxy)methyl]-2-furyl]methanone
  • [4-(4-chlorophenyl)-1-piperazinyl]-[5-[(2,3,5,6-tetrafluorophenoxy)methyl]-2-furyl]methanone
  • AK-968/37214049
  • 1-(4-chlorophenyl)-4-{5-[(2,3,5,6-tetrafluorophenoxy)methyl]-2-furoyl}piperazine
  • MLS000088939
  • SMR000073185
  • MLS000910998
  • ZINC02095951

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens neuropeptide S receptor 1 Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Rattus norvegicus Inositol monophosphatase 1 Starlite/ChEMBL No references
Homo sapiens glutaminase Starlite/ChEMBL No references
Homo sapiens huntingtin Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed), beta Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania infantum mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania donovani mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania major mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania braziliensis mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Brugia malayi hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Schistosoma japonicum ko:K01092 myo-inositol-1(or 4)-monophosphatase [EC3.1.3.25], putative Get druggable targets OG5_126810 All targets in OG5_126810
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Neospora caninum hypothetical protein Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Mycobacterium ulcerans glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Leishmania donovani myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania infantum myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania mexicana myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium ulcerans extragenic suppressor protein SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania braziliensis myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Get druggable targets OG5_136011 All targets in OG5_136011
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei gambiense mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis glutaminase, putative Get druggable targets OG5_129245 All targets in OG5_129245
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma congolense mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Echinococcus granulosus neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Mycobacterium tuberculosis Conserved hypothetical protein Get druggable targets OG5_130965 All targets in OG5_130965
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania mexicana mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Loa Loa (eye worm) glutaminase 2 Get druggable targets OG5_129245 All targets in OG5_129245
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma congolense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Entamoeba histolytica myo-inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Mycobacterium ulcerans hypothetical protein Get druggable targets OG5_130965 All targets in OG5_130965
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi glutaminase DH11.1 Get druggable targets OG5_129245 All targets in OG5_129245
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase 1 Inositol monophosphatase 1   277 aa 275 aa 22.2 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 306 aa 22.5 %
Trypanosoma cruzi myo-inositol-1 phosphatase, putative Inositol monophosphatase 1   277 aa 284 aa 30.6 %
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative polymerase (DNA directed), beta 335 aa 303 aa 32.3 %
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 268 aa 22.4 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 263 aa 24.0 %
Trichomonas vaginalis diphosphonucleoside phosphohydrolase, putative Inositol monophosphatase 1   277 aa 263 aa 21.7 %
Trypanosoma cruzi inositol polyphosphate 1-phosphatase, putative Inositol monophosphatase 1   277 aa 291 aa 23.7 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 307 aa 22.5 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase Inositol monophosphatase 1   277 aa 230 aa 25.2 %
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 309 aa 27.8 %
Trypanosoma congolense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 28.9 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 258 aa 21.7 %
Onchocerca volvulus Putative 28S ribosomal protein S10, mitochondrial Inositol monophosphatase 1   277 aa 271 aa 46.1 %
Schistosoma japonicum ko:K01082 3'(2'), 5'-bisphosphate nucleotidase [EC3.1.3.7], putative Inositol monophosphatase 1   277 aa 275 aa 21.5 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 300 aa 22.0 %
Loa Loa (eye worm) hypothetical protein Inositol monophosphatase 1   277 aa 298 aa 23.8 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 287 aa 22.3 %
Brugia malayi Inositol monophosphatase family protein Inositol monophosphatase 1   277 aa 238 aa 21.8 %
Onchocerca volvulus Putative trans-2-enoyl-CoA reductase 1, mitochondrial Inositol monophosphatase 1   277 aa 278 aa 23.0 %
Trypanosoma brucei inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 27.3 %
Schistosoma mansoni pap-inositol-14-phosphatase Inositol monophosphatase 1   277 aa 279 aa 22.9 %
Trichomonas vaginalis myo inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 276 aa 21.4 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.037 0.3761 0.593
Echinococcus multilocularis neuropeptide receptor A26 0.0558 0.5932 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0076 0.0359 0.0359
Loa Loa (eye worm) hypothetical protein 0.0076 0.0359 0.0954
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0076 0.0359 0.0954
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0076 0.0359 0.0566
Echinococcus multilocularis cathepsin L cysteine protease 0.037 0.3761 0.634
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.037 0.3761 0.593
Echinococcus granulosus cathepsin L 0.0076 0.0359 0.0605
Onchocerca volvulus 0.037 0.3761 1
Plasmodium falciparum cysteine proteinase falcipain 3 0.037 0.3761 0.3529
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0062 0.0207 0.0549
Mycobacterium tuberculosis Conserved hypothetical protein 0.0192 0.1703 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0251 0.2382 0.3756
Entamoeba histolytica cysteine proteinase, putative 0.0195 0.1738 0.4622
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0166 0.1399 0.2206
Entamoeba histolytica cysteine proteinase, putative 0.0195 0.1738 0.4622
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0195 0.1738 0.4622
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0594 0.6342 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.037 0.3761 1
Onchocerca volvulus 0.037 0.3761 1
Schistosoma mansoni cathepsin S (C01 family) 0.0076 0.0359 0.0359
Loa Loa (eye worm) hypothetical protein 0.0076 0.0359 0.0954
Echinococcus granulosus cathepsin b 0.0367 0.3723 0.6275
Plasmodium vivax unspecified product 0.0119 0.0864 0.0524
Onchocerca volvulus 0.037 0.3761 1
Brugia malayi Cathepsin L-like precursor 0.0251 0.2382 0.6333
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.037 0.3761 1
Loa Loa (eye worm) hypothetical protein 0.0119 0.0864 0.2298
Brugia malayi cathepsin B-like cysteine proteinase 0.0367 0.3723 0.9898
Echinococcus granulosus cathepsin L 0.0195 0.1738 0.293
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.037 0.3761 0.593
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.037 0.3761 0.593
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0051 0.0077 0.0205
Leishmania major cathepsin L-like protease 0.037 0.3761 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 0.3696 0.9827
Onchocerca volvulus Huntingtin homolog 0.0148 0.1193 0.2452
Trypanosoma cruzi cruzipain precursor, putative 0.037 0.3761 1
Trichomonas vaginalis conserved hypothetical protein 0.0076 0.0359 0.0566
Toxoplasma gondii preprocathepsin c precursor, putative 0.0911 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.037 0.3761 0.593
Onchocerca volvulus 0.037 0.3761 1
Plasmodium vivax dipeptidyl aminopeptidase 3, putative 0.0393 0.4017 0.3794
Entamoeba histolytica hypothetical protein 0.0076 0.0359 0.0954
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0251 0.2382 0.6333
Onchocerca volvulus Huntingtin homolog 0.0148 0.1193 0.2452
Entamoeba histolytica cysteine proteinase, putative 0.0195 0.1738 0.4622
Onchocerca volvulus Cathepsin L homolog 0.037 0.3761 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.037 0.3761 0.593
Trypanosoma cruzi cysteine peptidase, putative 0.0119 0.0864 0.2298
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0076 0.0359 0.0359
Brugia malayi Papain family cysteine protease containing protein 0.0076 0.0359 0.0954
Entamoeba histolytica cysteine protease, putative 0.0195 0.1738 0.4622
Brugia malayi cahepsin L-like non-peptiedase homolog 0.0076 0.0359 0.0954
Loa Loa (eye worm) hypothetical protein 0.037 0.3761 1
Schistosoma mansoni cathepsin B (C01 family) 0.0076 0.0359 0.0359
Echinococcus multilocularis cathepsin l cysteine peptidase 0.037 0.3761 0.634
Echinococcus granulosus cathepsin l1 0.037 0.3761 0.634
Loa Loa (eye worm) hypothetical protein 0.0251 0.2382 0.6333
Plasmodium falciparum dipeptidyl aminopeptidase 3 0.0393 0.4017 0.3794
Giardia lamblia Cathepsin B precursor 0.0166 0.1399 0.1079
Trypanosoma cruzi cysteine peptidase, putative 0.037 0.3761 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0367 0.3723 0.3723
Loa Loa (eye worm) fibroinase 0.037 0.3761 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0076 0.0359 0.0566
Brugia malayi Cathepsin L-like precursor 0.037 0.3761 1
Trypanosoma cruzi cysteine peptidase, putative 0.037 0.3761 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.037 0.3761 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.037 0.3761 0.593
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.0119 0.0864 0.2298
Entamoeba histolytica cysteine protease, putative 0.0076 0.0359 0.0954
Brugia malayi cathepsin L-like precursor 0.0251 0.2382 0.6333
Loa Loa (eye worm) hypothetical protein 0.0251 0.2382 0.6333
Entamoeba histolytica cysteine protease, putative 0.0195 0.1738 0.4622
Echinococcus granulosus cathepsin b 0.0367 0.3723 0.6275
Loa Loa (eye worm) cathepsin B 0.0166 0.1399 0.3721
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0076 0.0359 0.0566
Schistosoma mansoni cathepsin C 0.0076 0.0359 0.0359
Entamoeba histolytica cysteine protease, putative 0.0195 0.1738 0.4622
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.037 0.3761 0.593
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0195 0.1738 0.2741
Brugia malayi fibroinase precursor 0.0076 0.0359 0.0954
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.037 0.3761 0.593
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0076 0.0359 0.0566
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0365 0.3696 0.9827
Loa Loa (eye worm) hypothetical protein 0.0367 0.3723 0.9898
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0367 0.3723 0.3723
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0076 0.0359 0.0359
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.037 0.3761 0.593
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.037 0.3761 0.593
Brugia malayi Cathepsin L-like precursor 0.0119 0.0864 0.2298
Leishmania major cathepsin L-like protease 0.037 0.3761 1
Loa Loa (eye worm) hypothetical protein 0.0076 0.0359 0.0954
Entamoeba histolytica cysteine protease, putative 0.0195 0.1738 0.4622
Entamoeba histolytica cysteine protease, putative 0.0076 0.0359 0.0954
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.037 0.3761 1
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0166 0.1399 0.3721
Toxoplasma gondii cathepsin CPL 0.037 0.3761 0.3761
Loa Loa (eye worm) cysteine protease 0.037 0.3761 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0173 0.1478 0.393
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0173 0.1478 0.393
Brugia malayi cathepsin Z-like cysteine proteinase 0.0076 0.0359 0.0954
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0076 0.0359 0.0566
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0195 0.1738 0.4622
Trichomonas vaginalis Clan CA, family C1, cathepsin F-like cysteine peptidase 0.0076 0.0359 0.0566
Loa Loa (eye worm) glutaminase 0.033 0.3296 0.8765
Echinococcus granulosus cathepsin l1 0.0251 0.2382 0.4015
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0076 0.0359 0.0566
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.037 0.3761 0.593
Loa Loa (eye worm) hypothetical protein 0.0119 0.0864 0.2298
Brugia malayi hypothetical protein 0.0148 0.1193 0.3172
Echinococcus granulosus neuropeptide receptor A26 0.0558 0.5932 1
Entamoeba histolytica cysteine protease, putative 0.0195 0.1738 0.4622
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0166 0.1399 0.3721
Echinococcus granulosus cathepsin l cysteine peptidase 0.037 0.3761 0.634
Plasmodium vivax dipeptidyl aminopeptidase 2, putative 0.0911 1 1
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0393 0.4017 0.3794
Onchocerca volvulus Cathepsin L homolog 0.037 0.3761 1
Trypanosoma cruzi major cysteine proteinase, putative 0.0076 0.0359 0.0954
Echinococcus multilocularis cathepsin L 0.0195 0.1738 0.293
Schistosoma mansoni cathepsin F (C01 family) 0.037 0.3761 0.3761
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.037 0.3761 1
Trypanosoma cruzi cysteine peptidase, putative 0.0195 0.1738 0.4622
Brugia malayi cathepsin L-like cysteine proteinase 0.0076 0.0359 0.0954
Giardia lamblia Encystation-specific protease 0.0393 0.4017 0.3794
Loa Loa (eye worm) cysteine proteinase cathepsin Z 0.0076 0.0359 0.0954
Entamoeba histolytica cysteine proteinase, putative 0.037 0.3761 1
Echinococcus multilocularis cysteine protease 0.037 0.3761 0.634
Entamoeba histolytica cysteine protease, putative 0.0076 0.0359 0.0954
Plasmodium falciparum dipeptidyl aminopeptidase 2 0.0911 1 1
Brugia malayi cathepsin F-like cysteine proteinase 0.0119 0.0864 0.2298
Leishmania major cathepsin L-like protease 0.037 0.3761 1
Echinococcus granulosus cathepsin L cysteine proteinase 0.037 0.3761 0.634
Trichomonas vaginalis conserved hypothetical protein 0.0076 0.0359 0.0566
Brugia malayi Cathepsin L-like precursor 0.037 0.3761 1
Leishmania major cysteine peptidase A (CPA) 0.037 0.3761 1
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0076 0.0359 0.0566
Trichomonas vaginalis Clan CA, family C1, cathepsin L, S or H-like cysteine peptidase 0.0076 0.0359 0.0566
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.037 0.3761 0.593
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0051 0.0077 0.0205
Brugia malayi Cathepsin L-like precursor 0.037 0.3761 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 0.3696 0.9827
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0195 0.1738 0.1738
Entamoeba histolytica cysteine protease, putative 0.037 0.3761 1
Trichomonas vaginalis Clan CA, family C1, cathepsin H-like cysteine peptidase 0.0076 0.0359 0.0566
Loa Loa (eye worm) hypothetical protein 0.0076 0.0359 0.0954
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0195 0.1738 0.1738
Onchocerca volvulus 0.037 0.3761 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0251 0.2382 0.3756
Entamoeba histolytica cysteine proteinase 2 0.0195 0.1738 0.4622
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0076 0.0359 0.0359
Giardia lamblia Cathepsin B precursor 0.0166 0.1399 0.1079
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.037 0.3761 1
Leishmania major cathepsin L-like protease 0.037 0.3761 1
Entamoeba histolytica cysteine protease, putative 0.0195 0.1738 0.4622
Echinococcus multilocularis cathepsin L 0.0076 0.0359 0.0605
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.037 0.3761 0.593
Onchocerca volvulus 0.037 0.3761 1
Entamoeba histolytica papain family cysteine protease domain containing protein 0.0076 0.0359 0.0954
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.037 0.3761 0.593
Brugia malayi Cathepsin L-like cysteine proteinase 0.0251 0.2382 0.6333
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0051 0.0077 0.0205
Echinococcus granulosus cysteine protease 0.0195 0.1738 0.293
Entamoeba histolytica cysteine proteinase, putative 0.0195 0.1738 0.4622
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.037 0.3761 0.593
Loa Loa (eye worm) hypothetical protein 0.0148 0.1193 0.3172
Toxoplasma gondii cathepsin CPC1 0.0911 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.037 0.3761 0.593
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.037 0.3761 0.593
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0076 0.0359 0.0359
Brugia malayi Papain family cysteine protease containing protein 0.0076 0.0359 0.0954
Plasmodium falciparum cysteine proteinase falcipain 2a 0.037 0.3761 0.3529
Trypanosoma cruzi cysteine proteinase, putative 0.0195 0.1738 0.4622
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0119 0.0864 0.2298
Brugia malayi Cathepsin L-like precursor 0.0251 0.2382 0.6333
Toxoplasma gondii cathepsin CPC2 0.0393 0.4017 0.4017
Trypanosoma cruzi cysteine protease, putative 0.0195 0.1738 0.4622
Plasmodium falciparum cysteine proteinase falcipain 2b 0.037 0.3761 0.3529
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0076 0.0359 0.0359
Schistosoma mansoni cathepsin F (C01 family) 0.0251 0.2382 0.2382
Loa Loa (eye worm) hypothetical protein 0.0148 0.1193 0.3172
Entamoeba histolytica cysteine proteinase, putative 0.037 0.3761 1
Echinococcus multilocularis cathepsin b 0.0367 0.3723 0.6275
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0076 0.0359 0.0566
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.037 0.3761 0.593
Schistosoma mansoni cathepsin s 0.0119 0.0864 0.0864
Brugia malayi Cathepsin L-like precursor 0.037 0.3761 1
Loa Loa (eye worm) hypothetical protein 0.0076 0.0359 0.0954
Entamoeba histolytica cysteine protease, putative 0.0195 0.1738 0.4622
Echinococcus multilocularis neuropeptide s receptor 0.0558 0.5932 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.037 0.3761 1
Entamoeba histolytica cysteine protease, putative 0.0195 0.1738 0.4622
Loa Loa (eye worm) hypothetical protein 0.0119 0.0864 0.2298
Schistosoma mansoni cathepsin F (C01 family) 0.037 0.3761 0.3761
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0195 0.1738 0.2741
Entamoeba histolytica cysteine protease, putative 0.0076 0.0359 0.0954
Onchocerca volvulus 0.037 0.3761 1
Brugia malayi Papain family cysteine protease containing protein 0.0195 0.1738 0.4622
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.037 0.3761 0.593
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0367 0.3723 0.3723
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0195 0.1738 0.1738
Brugia malayi cathepsin Z-like cysteine proteinase 0.0076 0.0359 0.0954
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.037 0.3761 0.593
Entamoeba histolytica cysteine protease, putative 0.0195 0.1738 0.4622
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0076 0.0359 0.0566
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0076 0.0359 0.0566
Echinococcus multilocularis cysteine protease 0.037 0.3761 0.634
Loa Loa (eye worm) ctsf protein 0.037 0.3761 1
Entamoeba histolytica cysteine proteinase, putative 0.0251 0.2382 0.6333
Echinococcus granulosus cathepsin L cysteine protease 0.0195 0.1738 0.293
Brugia malayi cathepsin L precursor 0.0076 0.0359 0.0954
Echinococcus multilocularis cathepsin L cysteine protease 0.037 0.3761 0.634
Toxoplasma gondii hypothetical protein 0.0059 0.0164 0.0164
Trypanosoma cruzi cruzipain precursor, putative 0.0119 0.0864 0.2298
Entamoeba histolytica cysteine protease, putative 0.0076 0.0359 0.0954
Toxoplasma gondii cathepsin B 0.0166 0.1399 0.1399
Plasmodium vivax vivapain-2 0.037 0.3761 0.3529
Schistosoma mansoni glutaminase 0.033 0.3296 0.3296
Loa Loa (eye worm) papain family cysteine protease containing protein 0.037 0.3761 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.037 0.3761 1
Echinococcus multilocularis cathepsin b 0.0367 0.3723 0.6275
Trichomonas vaginalis Clan CA, family C1, cathepsin L or H-like cysteine peptidase 0.0076 0.0359 0.0566
Plasmodium vivax vivapain-2 0.037 0.3761 0.3529
Brugia malayi cathepsin F-like cysteine proteinase 0.0076 0.0359 0.0954
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0367 0.3723 0.3723
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.0911 1 1
Trypanosoma brucei cysteine peptidase C (CPC) 0.0166 0.1399 0.3721
Trypanosoma cruzi major cysteine proteinase, putative 0.0076 0.0359 0.0954
Loa Loa (eye worm) hypothetical protein 0.0076 0.0359 0.0954
Loa Loa (eye worm) hypothetical protein 0.0251 0.2382 0.6333
Trichomonas vaginalis glutaminase, putative 0.033 0.3296 0.5198
Plasmodium vivax vivapain-1 0.0195 0.1738 0.1431
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.037 0.3761 1
Giardia lamblia Cathepsin B precursor 0.0166 0.1399 0.1079
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.037 0.3761 0.593
Onchocerca volvulus 0.0251 0.2382 0.5946
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0173 0.1478 0.393
Plasmodium falciparum dipeptidyl aminopeptidase 1 0.0911 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.037 0.3761 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0076 0.0359 0.0566
Mycobacterium ulcerans hypothetical protein 0.0192 0.1703 0.5166
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0393 0.4017 0.3794
Echinococcus granulosus neuropeptide s receptor 0.0558 0.5932 1
Brugia malayi Papain family cysteine protease containing protein 0.037 0.3761 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0166 0.1399 0.1399
Trypanosoma cruzi cysteine peptidase, putative 0.037 0.3761 1
Entamoeba histolytica cysteine protease, putative 0.0195 0.1738 0.4622
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.037 0.3761 0.593
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0195 0.1738 0.4622
Brugia malayi Papain family cysteine protease containing protein 0.0076 0.0359 0.0954
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0076 0.0359 0.0566
Entamoeba histolytica cysteine proteinase 1, putative 0.0195 0.1738 0.4622
Brugia malayi Papain family cysteine protease containing protein 0.0195 0.1738 0.4622
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0051 0.0077 0.0205
Trypanosoma cruzi cysteine peptidase, putative 0.037 0.3761 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.037 0.3761 1
Brugia malayi Cathepsin L-like precursor 0.037 0.3761 1
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0367 0.3723 0.9898
Brugia malayi glutaminase DH11.1 0.033 0.3296 0.8765
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.037 0.3761 0.593
Leishmania major cathepsin L-like protease 0.037 0.3761 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.037 0.3761 0.593
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0076 0.0359 0.0359
Leishmania major cathepsin L-like protease 0.037 0.3761 1
Schistosoma mansoni subfamily C1A non-peptidase homologue (C01 family) 0.0076 0.0359 0.0359
Mycobacterium ulcerans glutaminase 0.033 0.3296 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0076 0.0359 0.0954
Leishmania major cathepsin L-like protease 0.037 0.3761 1
Entamoeba histolytica papain family cysteine protease domain containing protein 0.0076 0.0359 0.0954
Echinococcus multilocularis cathepsin l cysteine peptidase 0.037 0.3761 0.634
Entamoeba histolytica cysteine protease, putative 0.0076 0.0359 0.0954
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.037 0.3761 1
Leishmania major mitochondrial DNA polymerase beta 0.0365 0.3696 0.9827
Brugia malayi Cathepsin L-like precursor 0.037 0.3761 1
Plasmodium vivax dipeptidyl aminopeptidase 1, putative 0.0911 1 1
Plasmodium vivax unspecified product 0.0195 0.1738 0.1431
Loa Loa (eye worm) glutaminase 2 0.033 0.3296 0.8765
Entamoeba histolytica cysteine protease, putative 0.0195 0.1738 0.4622
Entamoeba histolytica cysteine protease, putative 0.0195 0.1738 0.4622
Leishmania major cathepsin L-like protease 0.037 0.3761 1
Onchocerca volvulus Cathepsin F homolog 0.037 0.3761 1
Plasmodium falciparum cysteine proteinase falcipain 1 0.0195 0.1738 0.1431
Entamoeba histolytica cysteine protease, putative 0.0195 0.1738 0.4622
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0045 0 0.5
Trypanosoma cruzi cysteine proteinase, putative 0.0195 0.1738 0.4622
Plasmodium vivax vivapain-3 0.0195 0.1738 0.1431

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.7079 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 4.4668 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors: Potentiation with Lithium. (Class of assay: confirmatory) [Related pubchem assays: 901 ] ChEMBL. No reference
Potency (functional) 4.4668 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) = 8.9125 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.1254 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 20.5962 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 22.3872 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (binding) = 25.1189 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 29.0929 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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